SCHEMBL9195755

SCHEMBL9195755

COc1ccc(CN(C(=O)C(c2ccccc2)c2ccccc2)[C@@H](CCC(N)C(N)=N[N+](=O)[O-])C(N)=O)cc1O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.37
▸ LMNA P02545 3/20 0.37
▸ MAPT P10636 3/20 0.35
▸ KMT2A Q03164 3/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ CRHBP P24387 1/20 0.35
▸ CRHR2 Q13324 1/20 0.35
▸ GAA P10253 2/20 0.34
▸ BCHE P06276 2/20 0.34
▸ ACHE P22303 2/20 0.34
▸ TUBB4A P04350 1/20 0.34
▸ TUBB P07437 1/20 0.34
▸ TUBA3C P0DPH7 1/20 0.34
▸ TUBA1B P68363 1/20 0.34
▸ TUBA4A P68366 1/20 0.34
▸ TUBB4B P68371 1/20 0.34
▸ TUBB3 Q13509 1/20 0.34
▸ TUBB2A Q13885 1/20 0.34
▸ TUBB8 Q3ZCM7 1/20 0.34
▸ TUBA3E Q6PEY2 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9201326 0.94 ALDH1A1 (0.37) ALDH1A1LMNAMAPTKMT2AMEN1
SCHEMBL9198354 0.88 KMT2A (0.32) ALDH1A1MAPTKMT2AMEN1GAA
SCHEMBL9194668 0.88 TDP1 (0.39) ALDH1A1LMNAMAPTKMT2AMEN1
SCHEMBL9201579 0.87 TRPM8 (0.38) KMT2AMEN1NR1H3
SCHEMBL9199475 0.86 KMT2A (0.36) MAPTKMT2AMEN1HTTSMN1; SMN2
SCHEMBL9203185 0.85 TDP1 (0.34) MAPTKMT2AMEN1HTTNPSR1
SCHEMBL9196808 0.83 MAPT (0.33) MAPTKMT2AMEN1HTTNPSR1
SCHEMBL9196838 0.83 TDP1 (0.37) ALDH1A1LMNAMAPTKMT2AMEN1
SCHEMBL9195772 0.81 EPHX1 (0.38) ALDH1A1MAPTKMT2AMEN1GAA
SCHEMBL9195383 0.80 NR3C2 (0.35) KMT2AMEN1NR1H3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0680469-A1 AMINOACID DERIVATES, MEDICAMENTS CONTAINING THESE COMPOUNDS AND PROCESS FOR PREPARING THE SAME Dr. Karl Thomae GmbH (DE) 1995-11-08 — — EP disclosed
WO-1994017035-A1 AMINOACID DERIVATES, MEDICAMENTS CONTAINING THESE COMPOUNDS AND PROCESS FOR PREPARING THE SAME DR. KARL THOMAE GMBH (DE) 1994-08-04 — — WO disclosed
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